Single-Crystal Structural Analysis of 2D Metal–Organic Frameworks and Covalent Organic Frameworks by Three-Dimensional Electron Diffraction,Accounts of Chemical Research

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Single-Crystal Structural Analysis of 2D Metal–Organic Frameworks and Covalent Organic Frameworks by Three-Dimensional Electron Diffraction
Accounts of Chemical Research ( IF 16.4 ) Pub Date : 2024-08-15 , DOI: 10.1021/acs.accounts.4c00335
Qichen Chen ₁ , Guojun Zhou ₂ , Zhehao Huang _{1,

2}

Affiliation

In the development of 2D metal–organic frameworks (MOFs) and 2D covalent organic frameworks (COFs), obtaining structural details at the atomic level is crucial to understanding their properties and related mechanisms in potential applications. However, since 2D-MOFs and COFs are composed of layered structures and often exhibit sheet-like morphologies, it is challenging to grow large crystals suitable for single-crystal X-ray diffraction (SCXRD). Therefore, ab initio structure determination, which refers to solving the structure directly from experimental data without using any prior knowledge or computational input, is extremely rare for 2D-MOFs and COFs. In contrast to SCXRD, three-dimensional electron diffraction (3DED) only requires crystals sized in tens or hundreds of nanometers, making it an ideal method for single-crystal analysis of 2D-MOFs and COFs and obtaining their fine structural details.

中文翻译：

通过三维电子衍射对二维金属有机骨架和共价有机骨架进行单晶结构分析

在二维金属有机框架（MOF）和二维共价有机框架（COF）的开发中，获得原子水平的结构细节对于理解它们在潜在应用中的性质和相关机制至关重要。然而，由于2D-MOF和COF由层状结构组成，并且通常呈现片状形态，因此生长适合单晶X射线衍射（SCXRD）的大晶体具有挑战性。因此，从头开始结构确定，即直接根据实验数据求解结构，而不使用任何先验知识或计算输入，对于 2D-MOF 和 COF 来说极为罕见。与 SCXRD 相比，三维电子衍射 (3DED) 只需要数十或数百纳米的晶体尺寸，使其成为 2D-MOF 和 COF 的单晶分析并获得其精细结构细节的理想方法。

更新日期：2024-08-15

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